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Updated: Jul 8, 2025

Computation of Atmospheric Concentrations of Molecular Clusters from ab initio Thermochemistry
Published on: April 8, 2020
Compositional evolution for mixed aerosols containing gluconic acid and typical nitrate and the effect of multiply
Yue Zhu1, Shufeng Pang1, Yunhong Zhang1
1School of Chemistry and Chemical Engineering, Beijing Institute of Technology, Beijing 100081, China.
Abstract:
The aging process of atmospheric aerosols usually leads to a mixture of inorganic salts and organic compounds of anthropogenic origin. In organic compounds, polyhydroxy organic acids are important components, however, the study on composition and hygroscopic properties of the mixture containing inorganics and polyhydroxy organic acids is scanty. In this study, gluconic acid, the proxy of polyhydroxy organic acids, is mixed with the representative nitrate (Mg(NO3)2, Ca(NO3)2) to form aerosols. ATR-FTIR and optical microscopy are employed to study the component changes and hygroscopicity as a function of relative humidity. As relative humidity fluctuates, the FTIR-ATR spectra display that the internal mixed gluconic acid (CH2(CH)4(OH)5COOH) and nitrate can react to release acidic gases, forming relevant gluconate and further affecting the hygroscopicity. The specific presentation is particles cannot be recovered to their original size after the dehydration-hydration process and there will be some disparities in GF for mixed particles. For the gluconic acid-Ca(NO3)2/Mg(NO3)2 mixtures with molar ratios of 1:1, higher degree of reaction resulting in the production of large amounts of gluconate should be responsible to the lower hygroscopicity compared to ZSR model. For 1:2 gluconic acid-nitrate mixed systems (with higher nitrate content), the hygroscopicity of mixtures are higher than the ZSR prediction. A possible reason could be 'salt-promoting effect' on the organic fractions of the surplus inorganic salt in the mixture. These data can improve the chemical composition list evaluation, in turn hygroscopic properties and phase state of atmospheric aerosol, and then the climate effect.
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